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Butanedioic-1-13C acid, 2-methyl-3-oxo-, diethyl ester
SpectraBase Compound ID F7TziNHPgJv
InChI InChI=1S/C10H13ClO2/c1-10(12,7-11)8-3-5-9(13-2)6-4-8/h3-6,12H,7H2,1-2H3
InChIKey JSPQCXXGDZQKPO-UHFFFAOYSA-N
Mol Weight 200.66 g/mol
Molecular Formula C10H13ClO2
Exact Mass 200.060407 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K2k40LXwylc
Name Butanedioic-1-13C acid, 2-methyl-3-oxo-, diethyl ester
Alternate Name(s) Benzenemethanol, .alpha.-(chloromethyl)-4-methoxy-.alpha.-methyl- 2-Methyl-3-oxobutanedioic-1-C(13) acid diethyl ester 1-Chloro-2-(4-methoxyphenyl)-2-propanol Diethyl 2-methyl-3-oxo-[1-C(13)]-butanedioate 1-Chloro-2-(4-methoxyphenyl)propan-2-ol
CAS Registry Number 98815-47-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H13ClO2
InChI InChI=1S/C10H13ClO2/c1-10(12,7-11)8-3-5-9(13-2)6-4-8/h3-6,12H,7H2,1-2H3
InChIKey JSPQCXXGDZQKPO-UHFFFAOYSA-N
Molecular Weight 200.665 g/mol
SMILES OC(c1ccc(cc1)OC)(CCl)C
SPLASH splash10-0udi-0920000000-71da2d1ffcd1a36025bf
Source of Spectrum KC-1985-1377-20
Wiley ID 1197346